#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1st7 h SER 2 N 0.00 0.00 0.53 4.52 4.64 -1.92 -0.07 113.55 121.24 1st7 h SER 2 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1st7 h SER 2 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1st7 h SER 2 CO 0.00 0.00 -0.25 1.56 -0.87 0.00 0.00 176.83 177.27 1st7 h GLN 3 N 0.00 -0.68 -0.41 4.77 4.20 -2.00 -3.12 115.11 117.88 1st7 h GLN 3 Ca 0.14 0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.97 1st7 h GLN 3 Cb 0.65 0.16 -0.07 0.00 0.30 0.00 0.00 27.48 28.52 1st7 h GLN 3 CO -0.00 -0.38 -0.01 1.25 -0.67 0.00 0.00 178.83 179.02 1st7 h LEU 4 N -0.94 -0.18 -0.83 1.46 5.85 -1.77 -2.23 115.31 116.69 1st7 h LEU 4 Ca -0.07 0.10 0.19 0.00 0.84 0.00 0.00 57.88 58.94 1st7 h LEU 4 Cb 0.62 0.17 -0.15 0.00 0.37 0.00 0.00 40.66 41.67 1st7 h LEU 4 CO 0.12 -0.05 -0.03 0.15 -0.34 0.00 0.00 178.44 178.29 1st7 h PHE 5 N 0.10 -0.12 0.00 1.25 3.57 -1.13 0.83 116.94 121.45 1st7 h PHE 5 Ca 0.20 0.06 -0.21 0.00 3.53 0.00 0.00 57.97 61.55 1st7 h PHE 5 Cb 0.29 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1st7 h PHE 5 CO -0.28 -0.30 -1.01 0.93 -2.23 0.00 0.00 178.31 175.43 1st7 h GLU 6 N 0.07 0.00 -0.08 1.11 5.08 -1.34 -0.00 114.58 119.42 1st7 h GLU 6 Ca 0.45 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.80 1st7 h GLU 6 Cb 0.82 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1st7 h GLU 6 CO -0.76 0.98 0.00 0.93 -1.00 0.00 0.00 179.01 179.16 1st7 h GLU 7 N 0.00 0.14 0.00 2.33 5.08 -0.91 -3.25 114.58 117.98 1st7 h GLU 7 Ca -0.02 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 1st7 h GLU 7 Cb 1.77 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.98 1st7 h GLU 7 CO 0.13 0.40 -0.92 0.87 -1.00 0.00 0.00 179.01 178.49 1st7 h LYS 8 N -0.14 0.00 -0.31 2.33 6.56 -0.92 -3.11 116.57 120.99 1st7 h LYS 8 Ca 0.02 -0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.56 1st7 h LYS 8 Cb 0.33 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.98 1st7 h LYS 8 CO 0.00 0.92 0.01 0.00 -2.06 0.00 0.00 179.45 178.32 1st7 h ALA 9 N 1.08 0.41 0.00 3.86 0.00 -1.09 -1.87 119.26 121.66 1st7 h ALA 9 Ca -0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1st7 h ALA 9 Cb 1.62 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1st7 h ALA 9 CO 0.12 0.15 -0.02 0.87 0.00 0.00 0.00 179.25 180.37 1st7 h LYS 10 N 0.34 0.00 0.20 0.00 1.79 -1.63 -2.20 116.57 115.07 1st7 h LYS 10 Ca 0.09 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 1st7 h LYS 10 Cb 0.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1st7 h LYS 10 CO 0.01 0.02 -0.10 0.00 -1.08 0.00 0.00 179.45 178.31 1st7 h ALA 11 N 1.98 -0.27 0.00 3.86 0.00 -1.39 -3.34 119.26 120.10 1st7 h ALA 11 Ca -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1st7 h ALA 11 Cb 0.27 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1st7 h ALA 11 CO 0.00 -0.30 -0.15 -0.39 0.00 0.00 0.00 179.25 178.42 1st7 h VAL 12 N -0.98 0.78 0.00 0.00 -1.51 -0.96 0.31 116.25 113.88 1st7 h VAL 12 Ca -0.03 -0.58 -0.10 0.00 -1.23 0.00 0.00 66.70 64.75 1st7 h VAL 12 Cb 0.43 1.35 -0.01 0.00 -2.13 0.00 0.00 31.29 30.93 1st7 h VAL 12 CO 0.05 0.15 -0.50 0.78 -1.23 0.00 0.00 177.57 176.81 1st7 h ASN 13 N 0.00 0.00 0.00 4.19 2.35 -1.58 -3.31 115.58 117.23 1st7 h ASN 13 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1st7 h ASN 13 Cb 0.34 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 1st7 h ASN 13 CO 0.02 0.50 -0.42 -0.62 -1.65 0.00 0.00 177.43 175.26 1st7 n GLU 14 N -3.88 1.35 -1.40 0.81 -0.58 -0.08 -4.75 120.64 112.11 1st7 n GLU 14 Ca -0.01 -2.97 -0.30 0.00 -0.42 0.00 0.00 57.16 53.46 1st7 n GLU 14 Cb 0.52 -1.44 0.11 0.00 -0.57 0.00 0.00 31.44 30.07 1st7 n GLU 14 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1st7 s LEU 15 N -2.82 2.44 0.23 -4.62 1.43 -0.19 -4.97 118.68 110.18 1st7 s LEU 15 Ca 0.35 1.38 0.11 0.00 -1.03 0.00 0.00 54.13 54.95 1st7 s LEU 15 Cb 0.34 -3.90 0.13 0.00 0.03 0.00 0.00 46.19 42.78 1st7 s LEU 15 CO -0.05 -2.28 1.47 1.55 0.23 0.00 0.00 176.35 177.27 1st7 h PRO 16 N -1.30 0.00 -3.92 1.29 0.13 -1.86 -3.27 132.00 123.07 1st7 h PRO 16 Ca -0.48 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 63.87 1st7 h PRO 16 Cb 1.28 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.15 1st7 h PRO 16 CO 0.57 0.70 0.48 0.99 -0.23 0.00 0.00 178.00 180.51 1st7 s THR 17 N -3.12 5.66 0.92 1.56 2.01 -1.24 -5.04 115.64 116.39 1st7 s THR 17 Ca 0.01 -2.87 -0.11 0.00 0.31 0.00 0.00 61.69 59.04 1st7 s THR 17 Cb 0.10 -4.61 0.14 0.00 0.01 0.00 0.00 72.50 68.14 1st7 s THR 17 CO 0.77 -1.22 1.11 -0.54 -0.69 0.00 0.00 174.62 174.06 1st7 s LYS 18 N -0.13 1.05 0.41 4.92 1.02 -1.24 -4.77 119.74 121.01 1st7 s LYS 18 Ca 0.28 1.31 -0.26 0.00 0.02 0.00 0.00 55.97 57.32 1st7 s LYS 18 Cb -0.09 -1.75 -0.08 0.00 -0.52 0.00 0.00 37.83 35.39 1st7 s LYS 18 CO -0.07 -2.53 1.29 -2.14 -0.92 0.00 0.00 175.35 170.98 1st7 s PRO 19 N -4.71 3.94 0.51 -1.68 0.02 -1.26 -4.98 135.00 126.84 1st7 s PRO 19 Ca 0.65 2.13 -0.21 0.00 0.02 0.00 0.00 61.00 63.59 1st7 s PRO 19 Cb -0.21 -2.72 -0.07 0.00 0.02 0.00 0.00 34.50 31.51 1st7 s PRO 19 CO 0.58 -0.51 1.13 -1.12 -0.33 0.00 0.00 177.00 176.76 1st7 s SER 20 N -0.79 5.95 0.25 2.53 0.01 -1.26 -4.79 113.70 115.60 1st7 s SER 20 Ca 0.58 2.20 0.01 0.00 1.31 0.00 0.00 55.95 60.05 1st7 s SER 20 Cb -0.37 -2.59 0.31 0.00 0.21 0.00 0.00 66.02 63.58 1st7 s SER 20 CO 0.48 -1.06 1.64 0.71 0.41 0.00 0.00 173.24 175.42 1st7 h THR 21 N 1.49 1.30 0.00 1.44 1.35 -1.99 0.17 112.91 116.67 1st7 h THR 21 Ca -0.50 -1.53 -0.07 0.00 -0.55 0.00 0.00 66.41 63.77 1st7 h THR 21 Cb 1.25 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 69.24 1st7 h THR 21 CO 0.58 0.47 -0.61 0.44 -0.25 0.00 0.00 175.52 176.15 1st7 h ASP 22 N 0.38 0.00 -0.01 5.36 3.32 -2.02 -3.34 116.42 120.11 1st7 h ASP 22 Ca 0.04 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.96 1st7 h ASP 22 Cb 0.85 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.41 1st7 h ASP 22 CO 0.07 0.28 -0.49 -0.33 -1.72 0.00 0.00 179.24 177.05 1st7 h GLU 23 N 0.00 0.35 -1.19 3.56 5.08 -1.78 -3.29 114.58 117.31 1st7 h GLU 23 Ca -0.03 -0.37 0.35 0.00 -1.00 0.00 0.00 59.36 58.31 1st7 h GLU 23 Cb 1.24 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 30.49 1st7 h GLU 23 CO 0.03 1.05 0.78 1.25 -1.00 0.00 0.00 179.01 181.11 1st7 h LEU 24 N -0.19 0.31 0.10 1.33 5.85 -0.81 0.69 115.31 122.59 1st7 h LEU 24 Ca -0.06 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1st7 h LEU 24 Cb 1.21 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.26 1st7 h LEU 24 CO 0.10 -0.03 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.84 1st7 h LEU 25 N 0.22 -0.74 -0.38 2.25 3.38 -1.67 0.26 115.31 118.63 1st7 h LEU 25 Ca 0.69 0.09 -0.15 0.00 0.09 0.00 0.00 57.88 58.60 1st7 h LEU 25 Cb 2.05 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 43.08 1st7 h LEU 25 CO -0.31 -0.34 -0.35 -0.33 0.09 0.00 0.00 178.44 177.19 1st7 h GLU 26 N -0.45 0.91 -0.16 1.13 5.08 -1.31 -2.06 114.58 117.71 1st7 h GLU 26 Ca 0.04 -0.47 -0.12 0.00 -1.00 0.00 0.00 59.36 57.80 1st7 h GLU 26 Cb 0.49 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1st7 h GLU 26 CO -0.16 1.12 -0.42 -0.07 -1.00 0.00 0.00 179.01 178.49 1st7 h LEU 27 N 0.72 0.40 0.37 1.33 -0.00 -0.88 -1.50 115.31 115.75 1st7 h LEU 27 Ca 0.06 -0.17 -0.01 0.00 -0.00 0.00 0.00 57.88 57.76 1st7 h LEU 27 Cb 0.94 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.48 1st7 h LEU 27 CO 0.09 0.77 -0.29 0.22 -0.00 0.00 0.00 178.44 179.23 1st7 h TYR 28 N 0.31 -0.76 -0.16 1.13 5.03 -0.49 -1.20 116.97 120.84 1st7 h TYR 28 Ca 0.03 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.39 1st7 h TYR 28 Cb 0.87 0.28 -0.06 0.00 1.55 0.00 0.00 36.73 39.37 1st7 h TYR 28 CO 0.02 -0.42 -0.28 0.00 -1.32 0.00 0.00 178.16 176.16 1st7 h ALA 29 N -0.11 -0.28 -0.42 1.82 0.00 -0.84 0.33 119.26 119.77 1st7 h ALA 29 Ca -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1st7 h ALA 29 Cb 0.57 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1st7 h ALA 29 CO -0.01 -0.74 0.18 -0.07 0.00 0.00 0.00 179.25 178.61 1st7 h LEU 30 N -0.34 0.57 0.10 0.00 4.07 -1.38 0.75 115.31 119.08 1st7 h LEU 30 Ca 0.11 -0.15 0.01 0.00 0.08 0.00 0.00 57.88 57.92 1st7 h LEU 30 Cb 0.50 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.07 1st7 h LEU 30 CO -0.35 0.57 -0.17 0.22 -1.08 0.00 0.00 178.44 177.63 1st7 h TYR 31 N 0.53 -0.44 -0.65 1.13 3.20 -0.53 -2.12 116.97 118.10 1st7 h TYR 31 Ca 0.14 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1st7 h TYR 31 Cb 0.17 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 1st7 h TYR 31 CO -0.00 -0.25 0.36 0.87 -1.64 0.00 0.00 178.16 177.50 1st7 h LYS 32 N -0.33 0.89 0.46 1.82 1.79 -0.37 -1.04 116.57 119.79 1st7 h LYS 32 Ca 0.02 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 1st7 h LYS 32 Cb 0.34 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1st7 h LYS 32 CO -0.09 0.65 -0.37 1.96 -1.08 0.00 0.00 179.45 180.52 1st7 h GLN 33 N 0.90 -0.80 -0.02 3.15 4.20 -0.24 -2.16 115.11 120.14 1st7 h GLN 33 Ca 0.23 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1st7 h GLN 33 Cb 0.01 0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1st7 h GLN 33 CO -0.04 -0.53 -0.01 0.00 -0.67 0.00 0.00 178.83 177.58 1st7 n ALA 34 N -2.65 2.54 0.27 3.87 0.00 -0.85 -0.39 120.51 123.30 1st7 n ALA 34 Ca -0.11 -0.55 -0.11 0.00 0.00 0.00 0.00 53.44 52.67 1st7 n ALA 34 Cb 0.39 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.76 1st7 n ALA 34 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1st7 h THR 35 N 3.30 0.00 0.07 0.00 2.02 -1.07 -3.41 112.91 113.82 1st7 h THR 35 Ca 0.00 -0.40 -0.26 0.00 0.77 0.00 0.00 66.41 66.52 1st7 h THR 35 Cb 0.70 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1st7 h THR 35 CO 0.00 0.00 -1.37 -0.37 0.37 0.00 0.00 175.52 174.15 1st7 h VAL 36 N -1.14 0.97 0.00 3.16 -1.51 -1.48 -3.49 116.25 112.76 1st7 h VAL 36 Ca -0.08 -2.31 0.00 0.00 -1.23 0.00 0.00 66.70 63.08 1st7 h VAL 36 Cb 0.56 2.56 0.00 0.00 -2.13 0.00 0.00 31.29 32.28 1st7 h VAL 36 CO 0.12 0.60 0.00 0.61 -1.23 0.00 0.00 177.57 177.68 1st7 n GLY 37 N 1.67 1.01 3.45 5.19 0.00 0.47 -5.04 105.19 111.94 1st7 n GLY 37 Ca -0.28 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 1st7 n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1st7 s ASP 38 N -2.00 1.10 -0.18 1.61 1.01 -1.25 -4.41 116.67 112.54 1st7 s ASP 38 Ca 0.00 -1.55 -0.29 0.00 0.71 0.00 0.00 52.55 51.41 1st7 s ASP 38 Cb 0.00 0.64 -0.01 0.00 1.01 0.00 0.00 42.92 44.56 1st7 s ASP 38 CO 0.00 -1.25 1.23 0.54 0.21 0.00 0.00 175.17 175.90 1st7 s ASN 39 N -3.27 6.96 0.00 0.27 4.22 -0.30 -4.60 114.94 118.22 1st7 s ASN 39 Ca 0.33 1.64 0.00 0.00 -2.14 0.00 0.00 52.86 52.69 1st7 s ASN 39 Cb 0.00 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 39.99 1st7 s ASN 39 CO 0.22 -0.75 0.00 -0.67 -2.04 0.00 0.00 177.10 173.86 1st7 n ASP 40 N 6.59 0.00 -4.58 3.54 2.03 -1.26 -4.87 116.55 118.00 1st7 n ASP 40 Ca 0.14 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.12 1st7 n ASP 40 Cb 0.45 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.81 1st7 n ASP 40 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1st7 s LYS 41 N 0.00 2.99 -1.59 -0.67 -0.14 -1.26 -4.85 119.74 114.22 1st7 s LYS 41 Ca 0.00 -1.31 -0.11 0.00 -1.36 0.00 0.00 55.97 53.19 1st7 s LYS 41 Cb 0.00 -5.32 -0.07 0.00 -1.68 0.00 0.00 37.83 30.76 1st7 s LYS 41 CO 0.00 -3.33 2.84 -1.91 -0.76 0.00 0.00 175.35 172.19 1st7 n GLU 42 N 8.41 3.54 -2.75 1.68 2.13 -1.26 -4.12 120.64 128.27 1st7 n GLU 42 Ca 0.45 -2.24 -0.05 0.00 0.66 0.00 0.00 57.16 55.97 1st7 n GLU 42 Cb 0.47 -2.86 0.03 0.00 0.27 0.00 0.00 31.44 29.34 1st7 n GLU 42 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1st7 n LYS 43 N 3.96 0.62 -1.61 5.31 4.81 -1.26 -5.16 118.16 124.83 1st7 n LYS 43 Ca 0.74 -1.90 -0.29 0.00 -0.87 0.00 0.00 58.31 55.99 1st7 n LYS 43 Cb 0.25 -1.44 0.11 0.00 0.02 0.00 0.00 35.03 33.97 1st7 n LYS 43 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1st7 s PRO 44 N 0.80 1.73 0.32 1.64 0.04 -1.26 -5.05 135.00 133.23 1st7 s PRO 44 Ca 0.31 0.42 -0.05 0.00 0.04 0.00 0.00 61.00 61.71 1st7 s PRO 44 Cb 0.09 -1.90 0.08 0.00 0.04 0.00 0.00 34.50 32.81 1st7 s PRO 44 CO -0.12 -1.82 0.36 0.41 0.04 0.00 0.00 177.00 175.87 1st7 n GLY 45 N -2.35 -1.84 0.23 0.56 0.00 -1.26 -4.98 105.19 95.55 1st7 n GLY 45 Ca 0.07 -1.58 -0.26 0.00 0.00 0.00 0.00 46.02 44.25 1st7 n GLY 45 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1st7 n ILE 46 N -2.84 1.35 -1.47 -0.61 -5.35 -1.26 -4.20 119.36 104.98 1st7 n ILE 46 Ca 0.05 -0.36 -0.16 0.00 -0.27 0.00 0.00 62.75 62.01 1st7 n ILE 46 Cb 0.17 -1.79 0.15 0.00 -1.74 0.00 0.00 39.64 36.43 1st7 n ILE 46 CO 0.00 0.00 0.00 2.22 -1.76 0.00 0.00 176.55 177.01 1st7 n PHE 47 N -4.02 2.07 -3.15 4.28 1.16 -1.26 -4.87 117.46 111.67 1st7 n PHE 47 Ca -0.48 -1.98 -0.45 0.00 -1.87 0.00 0.00 57.45 52.67 1st7 n PHE 47 Cb 0.85 -0.72 -0.03 0.00 -1.61 0.00 0.00 39.48 37.97 1st7 n PHE 47 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 1st7 s ASN 48 N -2.32 6.48 0.09 5.98 3.84 -1.26 -4.91 114.94 122.84 1st7 s ASN 48 Ca 0.51 -2.01 -0.16 0.00 0.21 0.00 0.00 52.86 51.41 1st7 s ASN 48 Cb 0.44 -2.29 -0.09 0.00 -0.55 0.00 0.00 41.25 38.75 1st7 s ASN 48 CO 0.02 -0.91 1.41 0.24 -2.79 0.00 0.00 177.10 175.07 1st7 h MET 49 N 8.63 0.63 0.58 0.43 2.86 -1.92 -2.42 114.93 123.72 1st7 h MET 49 Ca -0.05 -0.33 -0.03 0.00 -2.06 0.00 0.00 59.70 57.24 1st7 h MET 49 Cb 1.06 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.73 1st7 h MET 49 CO 0.99 0.93 -0.30 0.87 1.06 0.00 0.00 176.91 180.45 1st7 h LYS 50 N 0.36 -0.78 -0.07 1.72 1.57 -2.00 -2.73 116.57 114.64 1st7 h LYS 50 Ca 0.04 0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1st7 h LYS 50 Cb 0.80 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1st7 h LYS 50 CO 0.06 -0.52 -0.27 -0.44 -0.57 0.00 0.00 179.45 177.71 1st7 h ASP 51 N -0.81 0.11 -0.77 0.86 5.19 -1.97 -0.97 116.42 118.06 1st7 h ASP 51 Ca -0.08 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.30 1st7 h ASP 51 Cb 0.64 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 40.08 1st7 h ASP 51 CO 0.11 0.39 0.45 0.03 -3.12 0.00 0.00 179.24 177.10 1st7 h ARG 52 N 0.11 1.05 -0.13 3.56 3.08 -1.36 0.49 114.38 121.17 1st7 h ARG 52 Ca 0.02 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1st7 h ARG 52 Cb 0.55 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1st7 h ARG 52 CO 0.04 0.75 -0.01 1.88 -1.07 0.00 0.00 179.97 181.56 1st7 h TYR 53 N 1.05 0.27 -0.45 3.04 0.05 -1.14 -2.90 116.97 116.89 1st7 h TYR 53 Ca 0.27 -0.05 0.04 0.00 0.05 0.00 0.00 58.73 59.05 1st7 h TYR 53 Cb -0.02 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 37.61 1st7 h TYR 53 CO -0.01 0.49 0.20 0.87 -1.05 0.00 0.00 178.16 178.67 1st7 h LYS 54 N -0.04 0.40 -0.05 4.88 1.57 -1.10 -1.83 116.57 120.39 1st7 h LYS 54 Ca 0.04 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 1st7 h LYS 54 Cb 0.40 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1st7 h LYS 54 CO 0.01 0.26 -0.55 2.35 -0.57 0.00 0.00 179.45 180.95 1st7 h TRP 55 N 0.41 0.17 -0.31 -1.35 7.01 -0.95 -1.14 115.95 119.79 1st7 h TRP 55 Ca 0.20 -0.06 -0.13 0.00 2.11 0.00 0.00 58.89 61.01 1st7 h TRP 55 Cb 0.14 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.16 1st7 h TRP 55 CO -0.12 0.66 -0.35 0.93 -2.79 0.00 0.00 178.44 176.76 1st7 h GLU 56 N 0.11 0.69 0.00 2.65 5.08 -1.38 0.96 114.58 122.69 1st7 h GLU 56 Ca -0.00 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 57.99 1st7 h GLU 56 Cb 1.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1st7 h GLU 56 CO 0.08 0.94 -0.19 0.00 -1.00 0.00 0.00 179.01 178.84 1st7 h ALA 57 N 1.03 1.33 0.02 3.43 0.00 -0.86 -1.81 119.26 122.40 1st7 h ALA 57 Ca 0.06 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1st7 h ALA 57 Cb 0.87 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1st7 h ALA 57 CO 0.08 0.24 -0.22 2.35 0.00 0.00 0.00 179.25 181.69 1st7 h TRP 58 N 0.00 0.08 -0.51 0.00 7.01 -0.95 -3.33 115.95 118.25 1st7 h TRP 58 Ca -0.00 -0.06 0.14 0.00 2.11 0.00 0.00 58.89 61.08 1st7 h TRP 58 Cb 0.44 -0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.47 1st7 h TRP 58 CO 0.00 1.09 0.36 1.49 -2.79 0.00 0.00 178.44 178.59 1st7 h GLU 59 N -0.90 0.06 -1.01 2.65 4.81 -0.68 0.31 114.58 119.81 1st7 h GLU 59 Ca -0.05 -0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.41 1st7 h GLU 59 Cb 1.12 -0.01 -0.10 0.00 0.63 0.00 0.00 28.75 30.38 1st7 h GLU 59 CO 0.01 0.04 0.63 -0.91 -0.73 0.00 0.00 179.01 178.04 1st7 h ASN 60 N 0.06 0.60 -0.72 1.04 2.35 -1.44 -2.28 115.58 115.19 1st7 h ASN 60 Ca 0.24 0.09 -0.52 0.00 -0.55 0.00 0.00 56.30 55.57 1st7 h ASN 60 Cb 0.87 -0.01 -0.37 0.00 0.05 0.00 0.00 38.32 38.87 1st7 h ASN 60 CO -0.02 0.16 -0.52 0.18 -1.65 0.00 0.00 177.43 175.58 1st7 n LEU 61 N -4.71 5.15 -0.31 1.61 4.32 0.08 -4.90 117.00 118.23 1st7 n LEU 61 Ca 0.24 -4.58 0.26 0.00 -0.02 0.00 0.00 56.01 51.91 1st7 n LEU 61 Cb 0.73 -0.46 0.49 0.00 -1.62 0.00 0.00 43.42 42.57 1st7 n LEU 61 CO 0.23 1.93 0.95 2.29 -1.22 0.00 0.00 177.39 181.57 1st7 n LYS 62 N -0.79 -0.06 -0.07 3.23 2.85 -0.86 -3.20 118.16 119.26 1st7 n LYS 62 Ca 0.45 1.36 -0.12 0.00 -1.05 0.00 0.00 58.31 58.94 1st7 n LYS 62 Cb 0.91 -2.36 -0.06 0.00 -0.65 0.00 0.00 35.03 32.88 1st7 n LYS 62 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1st7 n GLY 63 N -1.31 -0.21 1.36 2.58 0.00 -1.26 -1.15 105.19 105.20 1st7 n GLY 63 Ca 0.33 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.32 1st7 n GLY 63 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1st7 n LYS 64 N -3.25 3.38 -0.24 1.61 2.85 -1.25 -4.62 118.16 116.63 1st7 n LYS 64 Ca -0.27 -2.15 -0.00 0.00 -1.05 0.00 0.00 58.31 54.84 1st7 n LYS 64 Cb 0.73 -1.88 0.07 0.00 -0.65 0.00 0.00 35.03 33.30 1st7 n LYS 64 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1st7 h SER 65 N 2.90 -0.74 -0.05 -5.58 0.02 -1.78 -2.80 113.55 105.53 1st7 h SER 65 Ca 0.00 0.22 -0.09 0.00 -0.84 0.00 0.00 61.79 61.07 1st7 h SER 65 Cb 1.34 0.46 -0.01 0.00 0.14 0.00 0.00 62.40 64.32 1st7 h SER 65 CO 0.26 -0.25 -0.25 -0.61 -1.14 0.00 0.00 176.83 174.84 1st7 h GLN 66 N -0.02 0.47 0.06 3.45 4.15 -1.77 0.54 115.11 121.99 1st7 h GLN 66 Ca 0.33 -0.18 -0.15 0.00 0.77 0.00 0.00 58.65 59.42 1st7 h GLN 66 Cb 0.53 -0.03 0.02 0.00 0.21 0.00 0.00 27.48 28.20 1st7 h GLN 66 CO -0.73 0.69 -0.63 0.93 -1.93 0.00 0.00 178.83 177.16 1st7 h GLU 67 N 0.42 0.31 0.00 1.69 5.08 -1.89 -3.29 114.58 116.90 1st7 h GLU 67 Ca 0.06 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1st7 h GLU 67 Cb 0.67 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1st7 h GLU 67 CO 0.05 1.14 -0.95 -0.25 -1.00 0.00 0.00 179.01 178.00 1st7 n ASP 68 N -4.23 0.63 0.28 1.42 9.92 -1.07 -3.68 116.55 119.82 1st7 n ASP 68 Ca -0.12 -0.17 -0.11 0.00 -0.53 0.00 0.00 54.79 53.86 1st7 n ASP 68 Cb 0.71 0.68 -0.05 0.00 -0.64 0.00 0.00 41.12 41.82 1st7 n ASP 68 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1st7 h ALA 69 N 2.55 -0.91 -0.91 2.24 0.00 -1.06 -3.30 119.26 117.89 1st7 h ALA 69 Ca 0.00 -0.16 0.26 0.00 0.00 0.00 0.00 54.91 55.00 1st7 h ALA 69 Cb 0.72 0.29 -0.15 0.00 0.00 0.00 0.00 17.79 18.65 1st7 h ALA 69 CO 0.00 -0.85 0.26 1.05 0.00 0.00 0.00 179.25 179.70 1st7 h GLU 70 N -0.97 0.18 0.00 0.00 4.11 -1.63 0.14 114.58 116.41 1st7 h GLU 70 Ca -0.08 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.31 1st7 h GLU 70 Cb 0.57 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1st7 h GLU 70 CO 0.12 0.12 -0.92 0.87 0.07 0.00 0.00 179.01 179.28 1st7 h LYS 71 N 0.18 0.00 0.00 1.06 6.56 -1.74 -3.21 116.57 119.42 1st7 h LYS 71 Ca 0.59 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 60.01 1st7 h LYS 71 Cb 1.23 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.87 1st7 h LYS 71 CO -0.69 0.08 -1.40 0.93 -2.06 0.00 0.00 179.45 176.31 1st7 h GLU 72 N 0.00 0.00 -0.10 3.15 5.08 -1.48 -3.41 114.58 117.83 1st7 h GLU 72 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1st7 h GLU 72 Cb 1.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1st7 h GLU 72 CO 0.01 0.29 0.00 -0.92 -1.00 0.00 0.00 179.01 177.40 1st7 h TYR 73 N 0.00 0.19 -0.96 4.33 3.20 -0.75 -2.98 116.97 120.00 1st7 h TYR 73 Ca -0.16 -0.03 0.16 0.00 3.14 0.00 0.00 58.73 61.84 1st7 h TYR 73 Cb 1.58 -0.05 -0.16 0.00 1.54 0.00 0.00 36.73 39.64 1st7 h TYR 73 CO 0.00 0.41 -0.33 1.51 -1.64 0.00 0.00 178.16 178.11 1st7 n ILE 74 N -4.83 -0.47 0.23 1.81 3.06 -1.22 -0.88 119.36 117.06 1st7 n ILE 74 Ca -0.06 2.23 0.13 0.00 -2.50 0.00 0.00 62.75 62.54 1st7 n ILE 74 Cb 0.19 -2.99 0.33 0.00 0.54 0.00 0.00 39.64 37.71 1st7 n ILE 74 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1st7 h ALA 75 N 1.53 0.98 0.24 1.51 0.00 -1.78 -1.56 119.26 120.18 1st7 h ALA 75 Ca 0.38 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1st7 h ALA 75 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1st7 h ALA 75 CO -0.96 0.07 -0.12 -0.07 0.00 0.00 0.00 179.25 178.17 1st7 h LEU 76 N 0.00 -0.27 -1.29 0.00 3.38 -1.16 -3.34 115.31 112.63 1st7 h LEU 76 Ca -0.00 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 1st7 h LEU 76 Cb 0.87 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1st7 h LEU 76 CO 0.01 0.23 -0.31 0.58 0.09 0.00 0.00 178.44 179.03 1st7 h VAL 77 N -0.93 0.95 -0.75 1.22 2.07 -0.90 -0.93 116.25 116.97 1st7 h VAL 77 Ca -0.03 -1.20 -0.05 0.00 0.82 0.00 0.00 66.70 66.24 1st7 h VAL 77 Cb 0.49 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1st7 h VAL 77 CO 0.05 0.31 0.28 -0.78 0.02 0.00 0.00 177.57 177.45 1st7 h ASP 78 N 0.00 1.06 0.94 0.57 3.58 -1.45 0.18 116.42 121.30 1st7 h ASP 78 Ca -0.00 -0.19 -0.10 0.00 0.42 0.00 0.00 57.03 57.16 1st7 h ASP 78 Cb 0.67 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 1st7 h ASP 78 CO 0.04 0.96 -0.46 1.56 -2.88 0.00 0.00 179.24 178.46 1st7 h GLN 79 N 1.10 0.00 0.61 0.28 1.08 -1.38 -1.09 115.11 115.71 1st7 h GLN 79 Ca 0.25 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.42 1st7 h GLN 79 Cb 0.25 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1st7 h GLN 79 CO -0.02 0.46 -0.29 -0.07 -0.95 0.00 0.00 178.83 177.96 1st7 h LEU 80 N 0.00 -0.70 -0.98 1.46 4.07 -0.91 -3.25 115.31 115.01 1st7 h LEU 80 Ca -0.00 0.02 0.12 0.00 0.08 0.00 0.00 57.88 58.10 1st7 h LEU 80 Cb 1.06 0.18 -0.09 0.00 1.08 0.00 0.00 40.66 42.89 1st7 h LEU 80 CO 0.06 -0.37 0.60 0.40 -1.08 0.00 0.00 178.44 178.06 1st7 h ILE 81 N -1.08 0.89 -0.97 1.22 1.08 -0.57 0.73 117.51 118.81 1st7 h ILE 81 Ca -0.08 -0.32 0.17 0.00 -0.39 0.00 0.00 64.86 64.24 1st7 h ILE 81 Cb 0.63 -0.13 -0.09 0.00 -3.07 0.00 0.00 36.82 34.16 1st7 h ILE 81 CO 0.14 0.17 0.61 0.00 -0.69 0.00 0.00 178.15 178.38 1st7 h ALA 82 N 1.54 1.78 0.15 1.87 0.00 -1.31 0.70 119.26 123.99 1st7 h ALA 82 Ca 0.49 0.05 -0.35 0.00 0.00 0.00 0.00 54.91 55.09 1st7 h ALA 82 Cb 0.51 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1st7 h ALA 82 CO -0.28 -0.10 -1.85 -0.22 0.00 0.00 0.00 179.25 176.81 1st7 h LYS 83 N 0.72 0.33 0.00 0.00 3.64 -1.05 -3.42 116.57 116.79 1st7 h LYS 83 Ca 0.53 -0.56 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1st7 h LYS 83 Cb 0.86 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1st7 h LYS 83 CO -0.29 1.25 -0.54 1.88 -2.27 0.00 0.00 179.45 179.47 1st7 h TYR 84 N 0.09 0.00 -0.38 1.91 -1.99 0.82 -3.33 116.97 114.08 1st7 h TYR 84 Ca -0.37 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.42 1st7 h TYR 84 Cb 2.07 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 40.71 1st7 h TYR 84 CO 0.09 0.00 -0.45 0.77 -0.00 0.00 0.00 178.16 178.56 1st7 h SER 85 N 0.00 -1.50 0.00 3.88 0.02 -1.09 -3.29 113.55 111.57 1st7 h SER 85 Ca 0.00 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1st7 h SER 85 Cb 0.88 0.64 0.00 0.00 0.14 0.00 0.00 62.40 64.06 1st7 h SER 85 CO 0.00 -0.38 0.00 -0.24 -1.14 0.00 0.00 176.83 175.07